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Information card for entry 4036500
Preview
Coordinates | 4036500.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H17 N3 O3 |
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Calculated formula | C24 H17 N3 O3 |
SMILES | O=C(Nc1c2ncccc2ccc1)/C=C(\c1cc(N(=O)=O)ccc1)c1ccccc1 |
Title of publication | Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds. |
Authors of publication | Parella, Ramarao; Babu, Srinivasarao Arulananda |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 24 |
Pages of publication | 12379 - 12396 |
a | 6.1038 ± 0.0009 Å |
b | 16.2799 ± 0.0019 Å |
c | 19.802 ± 0.003 Å |
α | 86.77 ± 0.011° |
β | 89.29 ± 0.014° |
γ | 80.555 ± 0.017° |
Cell volume | 1937.9 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1731 |
Residual factor for significantly intense reflections | 0.1155 |
Weighted residual factors for significantly intense reflections | 0.3524 |
Weighted residual factors for all reflections included in the refinement | 0.4024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036500.html
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